SCHEMBL22421811

SCHEMBL22421811

COc1ccc(CNc2cc(Nc3cccc(-c4ccccc4)c3)nn3c(C#N)cnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ DYRK1A Q13627 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ PIM1 P11309 1/20 0.40
▸ NTRK1 P04629 1/20 0.38
▸ NTRK3 Q16288 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20504502 0.85 TYK2 (0.45) TYK2PDE4DMAPTGAATP53
SCHEMBL20504497 0.83 TYK2 (0.39) TYK2PDE4DMAPTGAAALDH1A1
SCHEMBL22421810 0.78 PI4KB (0.50) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL17849953 0.71 TYK2 (0.49) TYK2PDE4DMAPTMAPK1HSD17B10
SCHEMBL3314483 0.71 TYK2 (0.48) TYK2PDE4D
SCHEMBL2359901 0.70 EGFR (0.36) PDE4DMEN1KMT2AEGFR
SCHEMBL2358706 0.69 TYK2 (0.51) TYK2PDE4DDYRK1A
SCHEMBL3313276 0.69 CSNK2A2 (0.39) TYK2PDE4DMAPTGAATP53
SCHEMBL3312258 0.69 TYK2 (0.48) TYK2PDE4DPIM1
SCHEMBL3318537 0.68 TYK2 (0.37) TYK2PDE4DJAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377496-B1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2020-09-16 — — EP disclosed
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